4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-[2-oxidanylidene-1-(phenylmethyl)azepan-3-yl]piperazine-1-carboxamide

Systemtic Name: 4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-[2-oxidanylidene-1-(phenylmethyl)azepan-3-yl]piperazine-1-carboxamide Openeye Name: 4-(2-amino-7-chloro-4-quinolyl)-N-(1-benzyl-2-oxo-azepan-3-yl)piperazine-1-carboxamide CAS Name: 4-(2-amino-7-chloro-4-quinolinyl)-N-[2-oxo-1-(phenylmethyl)-3-azepanyl]-1-piperazinecarboxamide IUPAC Name: 4-(2-amino-7-chloroquinolin-4-yl)-N-(1-benzyl-2-oxoazepan-3-yl)piperazine-1-carboxamide Traditional Name: 4-(2-amino-7-chloro-4-quinolyl)-N-(1-benzyl-2-keto-azepan-3-yl)piperazine-1-carboxamide Formula: C27H31ClN6O2 MolecularWeight: 507.02704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N)CC5=CC=CC=C5

InChI

InChI=1S/C27H31ClN6O2/c28-20-9-10-21-23(16-20)30-25(29)17-24(21)32-12-14-33(15-13-32)27(36)31-22-8-4-5-11-34(26(22)35)18-19-6-2-1-3-7-19/h1-3,6-7,9-10,16-17,22H,4-5,8,11-15,18H2,(H2,29,30)(H,31,36)